4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine

C15H21NO2 — CID 82295861

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H21NO2/c1-16-13-5-2-11(3-6-13)12-4-7-14-15(10-12)18-9-8-17-14/h4,7,10-11,13,16H,2-3,5-6,8-9H2,1H3
InChIKeyAKGUVDDQEMQTCJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.70
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine (PubChem CID 82295861) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine
PubChem CID82295861
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H21NO2/c1-16-13-5-2-11(3-6-13)12-4-7-14-15(10-12)18-9-8-17-14/h4,7,10-11,13,16H,2-3,5-6,8-9H2,1H3
InChIKeyAKGUVDDQEMQTCJ-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine (CID 82295861) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine is CNC1CCC(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine?
The InChIKey is AKGUVDDQEMQTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-13-5-2-11(3-6-13)12-4-7-14-15(10-12)18-9-8-17-14/h4,7,10-11,13,16H,2-3,5-6,8-9H2,1H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 82295861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).